6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide

C24H27ClN8O — CID 164767007

IUPAC6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cnn(C4CCNC4)c3)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C24H27ClN8O/c1-4-32-15(2)16(10-27-32)13-31(3)24(34)22-20-9-18(25)5-6-21(20)29-23(30-22)17-11-28-33(14-17)19-7-8-26-12-19/h5-6,9-11,14,19,26H,4,7-8,12-13H2,1-3H3
InChIKeyRDEBRLVJDAVFMR-UHFFFAOYSA-N
MW478.99 g/mol
LogP3.48
Rot. Bonds6

About 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide

6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide (PubChem CID 164767007) has the molecular formula C24H27ClN8O and a molecular weight of 478.99 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide
PubChem CID164767007
Molecular FormulaC24H27ClN8O
Molecular Weight478.99 g/mol
Exact Mass478.20
IUPAC Name6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2nc(-c3cnn(C4CCNC4)c3)nc3ccc(Cl)cc23)c1C
InChIInChI=1S/C24H27ClN8O/c1-4-32-15(2)16(10-27-32)13-31(3)24(34)22-20-9-18(25)5-6-21(20)29-23(30-22)17-11-28-33(14-17)19-7-8-26-12-19/h5-6,9-11,14,19,26H,4,7-8,12-13H2,1-3H3
InChIKeyRDEBRLVJDAVFMR-UHFFFAOYSA-N
XLogP3.48
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.99
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide (CID 164767007) is 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2nc(-c3cnn(C4CCNC4)c3)nc3ccc(Cl)cc23)c1C.
What is the InChIKey of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide?
The InChIKey is RDEBRLVJDAVFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O/c1-4-32-15(2)16(10-27-32)13-31(3)24(34)22-20-9-18(25)5-6-21(20)29-23(30-22)17-11-28-33(14-17)19-7-8-26-12-19/h5-6,9-11,14,19,26H,4,7-8,12-13H2,1-3H3.
What are the key properties of 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide?
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide has a molecular weight of 478.99 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-pyrrolidin-3-ylpyrazol-4-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 164767007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).